CsO Structure: AB_oI8_71_e_g-001
Other compounds with this structure
RbO, NaC
- (Massaliski, 1990) credits the discovery of this structure to (Rengade, 1909), but we have been unable to obtain a copy of this reference. (Downs, 2003) quotes (Wyckoff, 1963) giving an $Immm-oI8$ structure for CsO. Since this is the same space group and Pearson symbol as found in Massaliski we use Wyckoff's data.
- In the absence of the original article, we provide the ICSD link to the work of (Föppl, 1957).
\[ \begin{array}{ccc}
\mathbf{a_{1}}&=&- \frac{1}{2}a \,\mathbf{\hat{x}}+\frac{1}{2}b \,\mathbf{\hat{y}}+\frac{1}{2}c \,\mathbf{\hat{z}}\\\mathbf{a_{2}}&=&\frac{1}{2}a \,\mathbf{\hat{x}}- \frac{1}{2}b \,\mathbf{\hat{y}}+\frac{1}{2}c \,\mathbf{\hat{z}}\\\mathbf{a_{3}}&=&\frac{1}{2}a \,\mathbf{\hat{x}}+\frac{1}{2}b \,\mathbf{\hat{y}}- \frac{1}{2}c \,\mathbf{\hat{z}}
\end{array}\]
Basis vectors
| Lattice coordinates | Cartesian coordinates | Wyckoff position | Atom type | |||
|---|---|---|---|---|---|---|
| $\mathbf{B_{1}}$ | = | $x_{1} \, \mathbf{a}_{2}+x_{1} \, \mathbf{a}_{3}$ | = | $a x_{1} \,\mathbf{\hat{x}}$ | (4e) | Cs I |
| $\mathbf{B_{2}}$ | = | $- x_{1} \, \mathbf{a}_{2}- x_{1} \, \mathbf{a}_{3}$ | = | $- a x_{1} \,\mathbf{\hat{x}}$ | (4e) | Cs I |
| $\mathbf{B_{3}}$ | = | $y_{2} \, \mathbf{a}_{1}+y_{2} \, \mathbf{a}_{3}$ | = | $b y_{2} \,\mathbf{\hat{y}}$ | (4g) | O I |
| $\mathbf{B_{4}}$ | = | $- y_{2} \, \mathbf{a}_{1}- y_{2} \, \mathbf{a}_{3}$ | = | $- b y_{2} \,\mathbf{\hat{y}}$ | (4g) | O I |
References
- M. E. Rengade, , Compt. Rend. 148, 1199–1202 (1909).
- H. Föppl, Die Kristallstrukturen der Alkaliperoxyde, Z. Anorganische und Allgemeine Chemie 291, 12–50 (1957), doi:10.1002/zaac.19572910104.
Found in
- T. B. Massalski, H. Okamoto, P. R. Subramanian, and L. Kacprzak, eds., Binary Alloy Phase Diagrams}, vol. 2 (ASM International, Materials Park, Ohio, USA, 1990), 2$^{nd$ edn. Cd-Ce to Hf-Rb.
- R. T. Downs and M. Hall-Wallace, The American Mineralogist Crystal Structure Database, Am. Mineral. 88, 247–250 (2003).
- R. W. G. Wyckoff, Crystal Structures, vol. 1 (Interscience Publishers, New York, 1963), second edn.
First cited in
- D. Hicks, M.J. Mehl, M. Esters, C. Oses, O. Levy, G.L.W. Hart, C. Toher, and S. Curtarolo, The AFLOW Library of Crystallographic Prototypes: Part 3, Comp. Mat. Sci. 199, 110450 (2021). (doi=10.1016/j.commatsci.2021.110450)
Geometry files
Prototype Generator
aflow --proto=AB_oI8_71_e_g --params=$a,b/a,c/a,x_{1},y_{2}$